Geometry & MOs

Info

ID:	300079
PubChem CID:	119526699
Reduced:	ON6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	380.161518
ΔH_f, kcal/mol:	68.77
Dipole, Da:	4.57
IP(EA), eV:	-9.34(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)CN2N=C(N=N2)C3=CC=CC=C3)N

DOS

IR

Vibrations